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Joseph Weston
kwant
Commits
ab92b34b
Commit
ab92b34b
authored
12 years ago
by
Christoph Groth
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update what's new
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doc/source/whatsnew/0.2.rst
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@@ -3,6 +3,28 @@ What's New in kwant 0.2
This article explains the user-visible changes in kwant 0.2.
Improved performance
--------------------
This has been the main focus of this release. Through optimization a level of
performance has been reached that we consider satisfactory: runs of kwant for
mid-sized (100x100 say) systems now typically spend most time in higly
optimized libraries and not anymore in Python-implemented code. For large,
truly performance-critical systems almost all time is now spent in optimized
libraries.
An important optimization has been replacing NumPy for most uses within kwant
by tinyarray. tinyarray provides a subset of NumPy's functionality in a way
that is highly optimized for small arrays such as the tags of sites in kwant.
New MUMPS-based solver
----------------------
The code for sparse matrix solvers has been reorganized and a new solver has
been added next to `kwant.solvers.sparse`: `kwant.solvers.mumps`. The new
solver uses the `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_ software package and
is much (often 2-3 times and more) faster than the UMFPACK-based old solver.
In addition, MUMPS uses considerably less memory for a given system while at
the same time it is able to take advantage of more than 2 GiB of RAM.
New tutorial dealing with superconductivity
-------------------------------------------
:doc:`../tutorial/tutorial5`
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@@ -26,8 +48,8 @@ no difference between plotting a low-level system and a builder.
Calculation of the local density of states
------------------------------------------
The new function
`kwant.solvers.sparse.ldos` allows the calculation of the
local density of states.
The new function
of sparse solvers `~kwant.solvers.common.SparseSolver.ldos`
allows the calculation of the
local density of states.
Plotting of functions of system sites
-------------------------------------
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@@ -36,9 +58,10 @@ potential or the LDOS.
Return value of sparse solver
-----------------------------
`kwant.solvers.sparse.solve` now always returns a single instance of
`~kwant.solvers.sparse.BlockResult`. The latter has been generalized to
include more information for leads defined as infinite systems.
The function `~kwant.solvers.common.SparseSolver.solve` of sparse solvers now
always returns a single instance of `~kwant.solvers.common.BlockResult`. The
latter has been generalized to include more information for leads defined as
infinite systems.
Return value of `~kwant.solvers.sparse.make_linear_sys` has changed
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